4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

C18H16Cl2N4O2 — CID 53214677

IUPAC4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3cc(Cl)cc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H16Cl2N4O2/c1-25-14-4-3-10(5-15(14)26-2)18-23-16(21)9-17(24-18)22-13-7-11(19)6-12(20)8-13/h3-9H,1-2H3,(H3,21,22,23,24)
InChIKeyMBMAIBYQGWLJBJ-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.79
Rot. Bonds5

About 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 53214677) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID53214677
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2nc(N)cc(Nc3cc(Cl)cc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H16Cl2N4O2/c1-25-14-4-3-10(5-15(14)26-2)18-23-16(21)9-17(24-18)22-13-7-11(19)6-12(20)8-13/h3-9H,1-2H3,(H3,21,22,23,24)
InChIKeyMBMAIBYQGWLJBJ-UHFFFAOYSA-N
XLogP4.79
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214673
2-(3,4-dimethoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214670
2-(3,4-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 53214669
1-[3-[[6-amino-2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 53214686
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 83868897
2-[2-(3,5-dichloroanilino)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 56695440
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 53214677) is 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(-c2nc(N)cc(Nc3cc(Cl)cc(Cl)c3)n2)cc1OC.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is MBMAIBYQGWLJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-25-14-4-3-10(5-15(14)26-2)18-23-16(21)9-17(24-18)22-13-7-11(19)6-12(20)8-13/h3-9H,1-2H3,(H3,21,22,23,24).
What are the key properties of 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 391.26 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).